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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:3-Sulfodeoxycholic acid
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Accession:CHEBI:88888 term browser browse the term
Definition:A steroid sulfate that has formula C23H38O7S.
Synonyms:related_synonym: (4R)-4-[(1S,2S,5R,7R,10S,11S,14R,16S)-16-hydroxy-2-methyl-5-(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid;   Deoxycholic acid 3-sulfate;   Deoxycholic acid 3-sulphate;   Formula=C23H38O7S;   InChI=1S/C23H38O7S/c1-13(3-8-21(25)26)16-6-7-18-17-5-4-14-11-15(30-31(27,28)29)9-10-23(14,2)19(17)12-20(24)22(16)18/h13-20,22,24H,3-12H2,1-2H3,(H,25,26)(H,27,28,29)/t13-,14-,15-,16-,17+,18+,19+,20+,22?,23+/m1/s1;   InChIKey=WSBVSABEAXNERB-JNLBVXOESA-N;   SMILES=C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@](CC2)([C@]4(C([C@H](C3)O)[C@H](CC4)[C@@H](CCC(O)=O)C)[H])[H])[H])C)[H])OS(=O)(O)=O
 xref: CAS:67030-48-2;   HMDB:HMDB0002504;   PMID:22664055


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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      chemical role 0
        catalyst 0
          sulfuric acid 0
            sulfuric acid derivative 0
              organic sulfate 0
                steroid sulfate 0
                  3-Sulfodeoxycholic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfuric acid 0
                                      sulfuric acid derivative 0
                                        sulfates 0
                                          organic sulfate 0
                                            steroid sulfate 0
                                              3-Sulfodeoxycholic acid 0
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